N-[2-(3-methoxyphenoxy)ethyl]-5-nitropyridin-2-amine

C14H15N3O4 — CID 4022772

IUPACN-[2-(3-methoxyphenoxy)ethyl]-5-nitropyridin-2-amine
SMILESCOc1cccc(OCCNc2ccc([N+](=O)[O-])cn2)c1
InChIInChI=1S/C14H15N3O4/c1-20-12-3-2-4-13(9-12)21-8-7-15-14-6-5-11(10-16-14)17(18)19/h2-6,9-10H,7-8H2,1H3,(H,15,16)
InChIKeyNCXCLMFOKBNNNO-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.49
Rot. Bonds7

About N-[2-(3-methoxyphenoxy)ethyl]-5-nitropyridin-2-amine

N-[2-(3-methoxyphenoxy)ethyl]-5-nitropyridin-2-amine (PubChem CID 4022772) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is N-[2-(3-methoxyphenoxy)ethyl]-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[2-(3-methoxyphenoxy)ethyl]-5-nitropyridin-2-amine
PubChem CID4022772
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC NameN-[2-(3-methoxyphenoxy)ethyl]-5-nitropyridin-2-amine
SMILESCOc1cccc(OCCNc2ccc([N+](=O)[O-])cn2)c1
InChIInChI=1S/C14H15N3O4/c1-20-12-3-2-4-13(9-12)21-8-7-15-14-6-5-11(10-16-14)17(18)19/h2-6,9-10H,7-8H2,1H3,(H,15,16)
InChIKeyNCXCLMFOKBNNNO-UHFFFAOYSA-N
XLogP2.49
TPSA86.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methoxyphenyl)methyl]-5-nitropyridin-2-amine
CID 3455584
N-[(2-methoxyphenyl)methyl]-3-nitropyridin-2-amine
CID 7446717
1-(2-Methoxyphenyl)-4-(5-nitropyridin-2-yl)piperazine
CID 2848878
N-(4-methoxyphenyl)-5-nitropyridin-2-amine
CID 2848906
N-[2-(4-methoxyphenyl)ethyl]-5-nitropyridin-2-amine
CID 2849092
N-[2-(2-chlorophenoxy)ethyl]-5-nitro-2-pyridinamine
CID 2975218
N-[2-(2,5-dimethylphenoxy)ethyl]-3-nitropyridin-2-amine
CID 5299030
N-(2-methoxyphenyl)-3-nitropyridin-2-amine
CID 2842434
N-[(4-methoxyphenyl)methyl]-3-nitropyridin-2-amine
CID 4269084
N-[2-(2,5-dimethylphenoxy)ethyl]-5-nitropyridin-2-amine
CID 5298550
N-(3-ethoxyphenyl)-5-nitropyridin-2-amine
CID 2849132
N-(2-methoxyphenyl)-5-nitropyridin-2-amine
CID 2849223

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenoxy)ethyl]-5-nitropyridin-2-amine?
The IUPAC name of N-[2-(3-methoxyphenoxy)ethyl]-5-nitropyridin-2-amine (CID 4022772) is N-[2-(3-methoxyphenoxy)ethyl]-5-nitropyridin-2-amine.
What is the SMILES notation for N-[2-(3-methoxyphenoxy)ethyl]-5-nitropyridin-2-amine?
The canonical SMILES for N-[2-(3-methoxyphenoxy)ethyl]-5-nitropyridin-2-amine is COc1cccc(OCCNc2ccc([N+](=O)[O-])cn2)c1.
What is the InChIKey of N-[2-(3-methoxyphenoxy)ethyl]-5-nitropyridin-2-amine?
The InChIKey is NCXCLMFOKBNNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-20-12-3-2-4-13(9-12)21-8-7-15-14-6-5-11(10-16-14)17(18)19/h2-6,9-10H,7-8H2,1H3,(H,15,16).
What are the key properties of N-[2-(3-methoxyphenoxy)ethyl]-5-nitropyridin-2-amine?
N-[2-(3-methoxyphenoxy)ethyl]-5-nitropyridin-2-amine has a molecular weight of 289.29 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenoxy)ethyl]-5-nitropyridin-2-amine is sourced from PubChem (CID 4022772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).